N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine

C12H24N2O — CID 139909461

IUPACN-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine
SMILESCNC(C)CC=COC=CCC(C)NC
InChIInChI=1S/C12H24N2O/c1-11(13-3)7-5-9-15-10-6-8-12(2)14-4/h5-6,9-14H,7-8H2,1-4H3
InChIKeyYJMZEQYHRISMKG-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.03
Rot. Bonds8

About N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine

N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine (PubChem CID 139909461) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine
PubChem CID139909461
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine
SMILESCNC(C)CC=COC=CCC(C)NC
InChIInChI=1S/C12H24N2O/c1-11(13-3)7-5-9-15-10-6-8-12(2)14-4/h5-6,9-14H,7-8H2,1-4H3
InChIKeyYJMZEQYHRISMKG-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine?
The IUPAC name of N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine (CID 139909461) is N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine.
What is the SMILES notation for N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine?
The canonical SMILES for N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine is CNC(C)CC=COC=CCC(C)NC.
What is the InChIKey of N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine?
The InChIKey is YJMZEQYHRISMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(13-3)7-5-9-15-10-6-8-12(2)14-4/h5-6,9-14H,7-8H2,1-4H3.
What are the key properties of N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine?
N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine has a molecular weight of 212.34 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine is sourced from PubChem (CID 139909461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).